Benzenehexanoic acid, alpha-(acetylamino)-, (S)-

Base Information

Chemical Name:Benzenehexanoic acid, alpha-(acetylamino)-, (S)-
CAS No.:150823-78-2
Molecular Formula:C₁₄H₁₉NO₃
Molecular Weight:249.31
Hs Code.:
DSSTox Substance ID:DTXSID001259464

Synonyms:DTXSID001259464;Benzenehexanoic acid, alpha-(acetylamino)-, (S)-;150823-78-2

Suppliers and Price of Benzenehexanoic acid, alpha-(acetylamino)-, (S)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzenehexanoic acid, alpha-(acetylamino)-, (S)-

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:249.13649347
Heavy Atom Count:18
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NC(CCCCC1=CC=CC=C1)C(=O)O
Isomeric SMILES:CC(=O)N[C@@H](CCCCC1=CC=CC=C1)C(=O)O

Technology Process of Benzenehexanoic acid, alpha-(acetylamino)-, (S)-

There total 4 articles about Benzenehexanoic acid, alpha-(acetylamino)-, (S)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: (R,S)-ethyl-2-acetamido-6-phenylhexanoate

: 150823-78-2
(S)-2-acetamido-6-phenylhexanoic acid

Guidance literature:: With potassium chloride; In dimethyl sulfoxide; at 39 ℃; for 8h; Subtilisin Carlsberg enzyme;
DOI:10.1021/jm00072a024

Reference yield:

: 13633-25-5
1-Bromo-4-phenylbutane

: 150823-78-2
(S)-2-acetamido-6-phenylhexanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) Na / 1.) EtOH, 0 deg C, 5 min, 2.) EtOH, reflux, 6 h

2: 92 percent / 1 M NaOH / ethanol / 0.5 h / Ambient temperature

3: 98 percent / 0.17 h / 130 °C

4: 90 percent / aq. KCl / dimethylsulfoxide / 8 h / 39 °C / Subtilisin Carlsberg enzyme

With sodium hydroxide; potassium chloride; sodium; In ethanol; dimethyl sulfoxide;
DOI:10.1021/jm00072a024

Reference yield:

: ethyl (4-phenylbutyl)acetamidomalonate

: 150823-78-2
(S)-2-acetamido-6-phenylhexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 98 percent / 0.17 h / 130 °C

2: 90 percent / aq. KCl / dimethylsulfoxide / 8 h / 39 °C / Subtilisin Carlsberg enzyme

With potassium chloride; In dimethyl sulfoxide;
DOI:10.1021/jm00072a024